N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enamide
Chemical Structure Depiction of
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enamide
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enamide
Compound characteristics
| Compound ID: | Y043-2335 |
| Compound Name: | N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enamide |
| Molecular Weight: | 443.52 |
| Molecular Formula: | C22 H25 N3 O5 S |
| Smiles: | C/C(CCC(Nc1nnc(C2CC2)s1)=O)=C\Cc1c(c2C(=O)OCc2c(C)c1OC)O |
| Stereo: | ACHIRAL |
| logP: | 4.7138 |
| logD: | 4.5507 |
| logSw: | -4.4572 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.682 |
| InChI Key: | UJOCDGPCTUYAFG-UHFFFAOYSA-N |